Understanding the Phase Transitions of the Ni2MnGa Magnetic Shape Memory System from First Principles

M. A. Uijttewaal, T. Hickel, J. Neugebauer, M. E. Gruner, and P. Entel
Phys. Rev. Lett. 102, 035702 – Published 22 January 2009

Abstract

The free energies of the austenite, the (modulated) premartensite and the unmodulated martensite of Ni2MnGa are determined using density functional theory and including quasiharmonic phonons and fixed-spin-moment magnons. This approach very well reproduces the complete phase sequence (martensitepremartensiteaustenite) of stoichiometric Ni2MnGa as a function of temperature. By analyzing the relevant free energy contributions, we also understand the delicate interplay of phonons and magnons driving both phase transitions.

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  • Received 22 September 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.035702

©2009 American Physical Society

Authors & Affiliations

M. A. Uijttewaal1,*, T. Hickel1, J. Neugebauer1, M. E. Gruner2, and P. Entel2

  • 1Max-Planck-Institut für Eisenforschung GmbH, D-40237, Düsseldorf, Germany
  • 2Physics Department and CENIDE, University of Duisburg-Essen, Campus 47048 Duisburg, Germany

  • *uijttewaal@mpie.de

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Vol. 102, Iss. 3 — 23 January 2009

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